SCHEMBL3573470

SCHEMBL3573470

FC(F)(F)c1cccc(CCNCc2ccc(C3CCC3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.55
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ROCK1 Q13464 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
DPP7 Q9UHL4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CNR1 P21554 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
IDE P14735 1/20 0.40
PAX8 Q06710 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3577225 0.98 PARP1 (0.53) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL3569059 0.95 KDM4E (0.52) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL12521795 0.82 SCN9A (0.46) KDM4EKMT2AMEN1SCN8ACNR1
SCHEMBL9958692 0.81 EPHX1 (0.38) PARP1
Hydrochloric Acid SCHEMBL11847984 0.80 MEN1 (0.62) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL5176919 0.80 LMNA (0.46) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL5177616 0.80 KDM4E (0.44) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL5175727 0.80 KDM4E (0.54) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL9957537 0.79 KDM4E (0.59) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL9958168 0.79 KDM4E (0.59) PARP1KDM4ETDP1ROCK1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
CN-101379022-B Benzamide and heteroarene derivatives HOFFMANN LA ROCHE 2013-05-01 CN disclosed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP PARP1 118/4885KDM4E 2662/4885TDP1 185/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC PARP1 797/4885KDM4E 1828/4885TDP1 3535/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.